1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol

C12H23NOS — CID 65212894

IUPAC1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
SMILESCC1CN(CC2(O)CCCC2)CC(C)S1
InChIInChI=1S/C12H23NOS/c1-10-7-13(8-11(2)15-10)9-12(14)5-3-4-6-12/h10-11,14H,3-9H2,1-2H3
InChIKeyQAPMBAFHWFMEDE-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.12
Rot. Bonds2

About 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol

1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol (PubChem CID 65212894) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
PubChem CID65212894
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
SMILESCC1CN(CC2(O)CCCC2)CC(C)S1
InChIInChI=1S/C12H23NOS/c1-10-7-13(8-11(2)15-10)9-12(14)5-3-4-6-12/h10-11,14H,3-9H2,1-2H3
InChIKeyQAPMBAFHWFMEDE-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[Methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 116628315
2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
(3R,6R)-3,6-dimethyl-1-(1-methylsulfanylethyl)piperidin-3-ol
CID 166682729
1-(Thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 61518433
1-[(3-Methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208261
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208316
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212719
1-(1,4-Thiazepan-4-ylmethyl)cyclopentan-1-ol
CID 65212728
1-((3-Methylthiomorpholino)methyl)cyclopentan-1-ol
CID 65212845
4-((1-Hydroxycyclopentyl)methyl)thiomorpholine 1,1-dioxide
CID 65213047
1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
CID 65213159
1-(Thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 65213206

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol (CID 65212894) is 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol is CC1CN(CC2(O)CCCC2)CC(C)S1.
What is the InChIKey of 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is QAPMBAFHWFMEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-7-13(8-11(2)15-10)9-12(14)5-3-4-6-12/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65212894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).